U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C20H21Cl2NO4
Molecular Weight 410.291
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Aceclofenac t-Butyl Ester

SMILES

CC(C)(C)OC(=O)COC(=O)CC1=C(NC2=C(Cl)C=CC=C2Cl)C=CC=C1

InChI

InChIKey=QIQFYYWKRUYDTH-UHFFFAOYSA-N
InChI=1S/C20H21Cl2NO4/c1-20(2,3)27-18(25)12-26-17(24)11-13-7-4-5-10-16(13)23-19-14(21)8-6-9-15(19)22/h4-10,23H,11-12H2,1-3H3

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
Aceclofenac t-Butyl Ester
Common Name English
2-(1,1-Dimethylethoxy)-2-oxoethyl 2-[(2,6-dichlorophenyl)amino]benzeneacetate
Systematic Name English
Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, 2-(1,1-dimethylethoxy)-2-oxoethyl ester
Systematic Name English
Aceclofenac Tert-Butyl Ester
Common Name English
(tert-Butoxycarbonyl)methyl 2-[2-[(2,6-dichlorophenyl)amino]phenyl]acetate
Systematic Name English
2-(tert-Butoxy)-2-oxoethyl 2-(2-((2,6-dichlorophenyl)amino)phenyl)acetate
Systematic Name English
Code System Code Type Description
FDA UNII
N22Q8VA778
Created by admin on Sat Dec 16 19:57:57 GMT 2023 , Edited by admin on Sat Dec 16 19:57:57 GMT 2023
PRIMARY
CAS
139272-68-7
Created by admin on Sat Dec 16 19:57:57 GMT 2023 , Edited by admin on Sat Dec 16 19:57:57 GMT 2023
PRIMARY
PUBCHEM
9931362
Created by admin on Sat Dec 16 19:57:57 GMT 2023 , Edited by admin on Sat Dec 16 19:57:57 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966